N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H15F3N2OS — CID 133384216

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H15F3N2OS/c1-3-19(8-10-4-6-11(20-2)7-5-10)13-18-12(9-21-13)14(15,16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyYAYHSPPCLAAWFD-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.20
Rot. Bonds5

About N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133384216) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133384216
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H15F3N2OS/c1-3-19(8-10-4-6-11(20-2)7-5-10)13-18-12(9-21-13)14(15,16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyYAYHSPPCLAAWFD-UHFFFAOYSA-N
XLogP4.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 86795861
CID 170594396
CID 170594396
N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
CID 171756751
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133384216) is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCN(Cc1ccc(OC)cc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is YAYHSPPCLAAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-3-19(8-10-4-6-11(20-2)7-5-10)13-18-12(9-21-13)14(15,16)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 316.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133384216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).